1-butyl-3-methyl-2H-imidazol-2-amine;ethanol

C10H23N3O — CID 175106217

IUPAC1-butyl-3-methyl-2H-imidazol-2-amine;ethanol
SMILESCCCCN1C=CN(C)C1N.CCO
InChIInChI=1S/C8H17N3.C2H6O/c1-3-4-5-11-7-6-10(2)8(11)9;1-2-3/h6-8H,3-5,9H2,1-2H3;3H,2H2,1H3
InChIKeySJLIMVVPHYXMLS-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.75
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol

1-butyl-3-methyl-2H-imidazol-2-amine;ethanol (PubChem CID 175106217) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazol-2-amine;ethanol
PubChem CID175106217
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-butyl-3-methyl-2H-imidazol-2-amine;ethanol
SMILESCCCCN1C=CN(C)C1N.CCO
InChIInChI=1S/C8H17N3.C2H6O/c1-3-4-5-11-7-6-10(2)8(11)9;1-2-3/h6-8H,3-5,9H2,1-2H3;3H,2H2,1H3
InChIKeySJLIMVVPHYXMLS-UHFFFAOYSA-N
XLogP0.75
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol?
The IUPAC name of 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol (CID 175106217) is 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol is CCCCN1C=CN(C)C1N.CCO.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol?
The InChIKey is SJLIMVVPHYXMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C2H6O/c1-3-4-5-11-7-6-10(2)8(11)9;1-2-3/h6-8H,3-5,9H2,1-2H3;3H,2H2,1H3.
What are the key properties of 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol?
1-butyl-3-methyl-2H-imidazol-2-amine;ethanol has a molecular weight of 201.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazol-2-amine;ethanol is sourced from PubChem (CID 175106217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).